- InChI
- InChI=1S/C11H11N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3
- InChI Key
- IJNQJQRKLLCLMC-UHFFFAOYSA-N
- Formula
- C11H11N
- SMILES
- CNc1ccc2ccccc2c1
- Molecular Weight1
- 157.22
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4899 | Relay (1.0) Calculated Property | |
| ΔfG° | 340.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 159.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.881 | Crippen Calculated Property | |
| McVol | 132.610 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Tboil | 590.20 | K | NIST |
| Tc | 853.84 | K | Relay (1.0) Calculated Property |
| Tfus | 342.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.31; 411.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.93700e+01 | |||
| Coefficient B | 9.82920e-01 | |||
| Coefficient C | -7.24080e-04 | |||
| Coefficient D | 2.11900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 248.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 283.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 396.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-NAPHTHALENAMINE, N-METHYL-.
Sources
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